Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel
Abstract
We report a fluid flow in a nanochannel highly depends on the wettability of the channel surface to the fluid. The permeability of the nanochannel is usually very low, largely due to the adhesion of fluid at the solid interfaces. Using molecular dynamics (MD) simulations, we demonstrate that the flow of water in a nanochannel with rough hydrophilic surfaces can be significantly enhanced by the presence of a thin layer of supercritical carbon dioxide (scCO2) at the water–solid interfaces. The thin scCO2 layer acts like an atomistic lubricant that transforms a hydrophilic interface into a super-hydrophobic one and triggers a transition from a stick- to- a slip boundary condition for a nanoscale flow. Here, this work provides an atomistic insight into multicomponent interactions in nanochannels and illustrates that such interactions can be manipulated, if needed, to increase the throughput and energy efficiency of nanofluidic systems.
- Authors:
-
[1];
[1];
[1];
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Geochemistry Department
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Waste Disposal Research and Analysis Department
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Incident Response Program Department
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Frontiers of Subsurface Energy Security (CFSES); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1483970
- Alternate Identifier(s):
- OSTI ID: 1478542
- Report Number(s):
- SAND-2018-11997J
Journal ID: ISSN 2040-3364; NANOHL; 668932
- Grant/Contract Number:
- AC04-94AL85000; NA0003525; SC0001114
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nanoscale
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 42; Journal ID: ISSN 2040-3364
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY
Citation Formats
Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., and Tenney, Craig M. Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. United States: N. p., 2018.
Web. doi:10.1039/C8NR06204H.
Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., & Tenney, Craig M. Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. United States. https://doi.org/10.1039/C8NR06204H
Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., and Tenney, Craig M. Tue .
"Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel". United States. https://doi.org/10.1039/C8NR06204H. https://www.osti.gov/servlets/purl/1483970.
@article{osti_1483970,
title = {Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel},
author = {Ho, Tuan A. and Wang, Yifeng and Ilgen, Anastasia and Criscenti, Louise J. and Tenney, Craig M.},
abstractNote = {We report a fluid flow in a nanochannel highly depends on the wettability of the channel surface to the fluid. The permeability of the nanochannel is usually very low, largely due to the adhesion of fluid at the solid interfaces. Using molecular dynamics (MD) simulations, we demonstrate that the flow of water in a nanochannel with rough hydrophilic surfaces can be significantly enhanced by the presence of a thin layer of supercritical carbon dioxide (scCO2) at the water–solid interfaces. The thin scCO2 layer acts like an atomistic lubricant that transforms a hydrophilic interface into a super-hydrophobic one and triggers a transition from a stick- to- a slip boundary condition for a nanoscale flow. Here, this work provides an atomistic insight into multicomponent interactions in nanochannels and illustrates that such interactions can be manipulated, if needed, to increase the throughput and energy efficiency of nanofluidic systems.},
doi = {10.1039/C8NR06204H},
journal = {Nanoscale},
number = 42,
volume = 10,
place = {United States},
year = {Tue Oct 23 00:00:00 EDT 2018},
month = {Tue Oct 23 00:00:00 EDT 2018}
}
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Cited by: 31 works
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Figures / Tables:
Figure 1: Simulation snapshot illustrating the flow of a water (red and white spheres) and CO2 (green rods) mixture confined in kerogen nanopore (silver) (A). The size of the system without and with scCO2 are 8.96×10.36×5.32 nm3 and 8.96×10.36×6.79 nm3, respectively. In the flow simulation, water molecules were forced tomore »
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Works referencing / citing this record:
Enhancement of oil flow in shale nanopores by manipulating friction and viscosity
journal, January 2019
- Ho, Tuan A.; Wang, Yifeng
- Physical Chemistry Chemical Physics, Vol. 21, Issue 24
Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen
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Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.